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Chemical ID: 5515085
Chemical ID:
5515085
Name [?]:
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H26N2O6S/c1-31-20-10-6-18(7-11-20)28-27-29(19-8-12-21(32-2)13-9-19)26(30)24(36-27)16-17-14-22(33-3)25(35-5)23(15-17)34-4/h6-16H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,23,27,25,5,7,30,34,4,8,31,33,21,17,15,16,6,29,3,32,20,18,14,19,12,10,9,11,13,2,35,22,26,24,28/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(22,23)(33,34)/rA:36nCOCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s10s14;s11;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O6S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25475 |
Area: | 663.544 |
Solvation: | -9.33384 |
Coulombic: | -59.2407 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 506.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.97 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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